acetic acid;cyclopentanamine;(4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;iodomethylphosphane;molecular hydrogen;(4-nitrobenzoyl) (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;(4-nitrobenzoyl) (4S,5R,6R)-4-methyl-7-oxo-6-propan-2-yl-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;sulfamide;(sulfamoylamino)cyclopentane;(3S)-3-(sulfamoylamino)pyrrolidine

C77H128IN22O31PS6 — CID 159874199

About acetic acid;cyclopentanamine;(4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;iodomethylphosphane;molecular hydrogen;(4-nitrobenzoyl) (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;(4-nitrobenzoyl) (4S,5R,6R)-4-methyl-7-oxo-6-propan-2-yl-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;sulfamide;(sulfamoylamino)cyclopentane;(3S)-3-(sulfamoylamino)pyrrolidine

acetic acid;cyclopentanamine;(4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;iodomethylphosphane;molecular hydrogen;(4-nitrobenzoyl) (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;(4-nitrobenzoyl) (4S,5R,6R)-4-methyl-7-oxo-6-propan-2-yl-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;sulfamide;(sulfamoylamino)cyclopentane;(3S)-3-(sulfamoylamino)pyrrolidine (PubChem CID 159874199) has the molecular formula C77H128IN22O31PS6 and a molecular weight of 2208.27 g/mol. Its IUPAC name is acetic acid;cyclopentanamine;(4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;iodomethylphosphane;molecular hydrogen;(4-nitrobenzoyl) (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;(4-nitrobenzoyl) (4S,5R,6R)-4-methyl-7-oxo-6-propan-2-yl-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;sulfamide;(sulfamoylamino)cyclopentane;(3S)-3-(sulfamoylamino)pyrrolidine.

Molecular Properties

• Compound Name: acetic acid;cyclopentanamine;(4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;iodomethylphosphane;molecular hydrogen;(4-nitrobenzoyl) (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;(4-nitrobenzoyl) (4S,5R,6R)-4-methyl-7-oxo-6-propan-2-yl-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;sulfamide;(sulfamoylamino)cyclopentane;(3S)-3-(sulfamoylamino)pyrrolidine
• PubChem CID: 159874199
• Molecular Formula: C77H128IN22O31PS6
• Molecular Weight: 2208.27 g/mol
• Exact Mass: 2206.62
• IUPAC Name: acetic acid;cyclopentanamine;(4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;iodomethylphosphane;molecular hydrogen;(4-nitrobenzoyl) (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;(4-nitrobenzoyl) (4S,5R,6R)-4-methyl-7-oxo-6-propan-2-yl-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;sulfamide;(sulfamoylamino)cyclopentane;(3S)-3-(sulfamoylamino)pyrrolidine
• SMILES: CC(=O)O.CC(C)[C@H]1C(=O)N2C(C(=O)OC(=O)c3ccc([N+](=O)[O-])cc3)=C(CN3CC[C@H](NS(N)(=O)=O)C3)[C@H](C)[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CN3CC[C@H](NS(N)(=O)=O)C3)[C@H](C)[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OC(=O)c3ccc([N+](=O)[O-])cc3)=C(CN3CC[C@H](NS(N)(=O)=O)C3)[C@H](C)[C@H]12.NC1CCCC1.NS(=O)(=O)NC1CCCC1.NS(=O)(=O)N[C@H]1CCNC1.NS(N)(=O)=O.PCI.[H][H]
• InChI: InChI=1S/C23H29N5O8S.C22H27N5O9S.C15H24N4O6S.C5H12N2O2S.C5H11N.C4H11N3O2S.C2H4O2.CH4IP.H4N2O2S.H2/c1-12(2)18-19-13(3)17(11-26-9-8-15(10-26)25-37(24,34)35)20(27(19)21(18)29)23(31)36-22(30)14-4-6-16(7-5-14)28(32)33;1-11-16(10-25-8-7-14(9-25)24-37(23,34)35)19(26-18(11)17(12(2)28)20(26)29)22(31)36-21(30)13-3-5-15(6-4-13)27(32)33;1-7-10(6-18-4-3-9(5-18)17-26(16,24)25)13(15(22)23)19-12(7)11(8(2)20)14(19)21;6-10(8,9)7-5-3-1-2-4-5;6-5-3-1-2-4-5;5-10(8,9)7-4-1-2-6-3-4;1-2(3)4;2-1-3;1-5(2,3)4;/h4-7,12-13,15,18-19,25H,8-11H2,1-3H3,(H2,24,34,35);3-6,11-12,14,17-18,24,28H,7-10H2,1-2H3,(H2,23,34,35);7-9,11-12,17,20H,3-6H2,1-2H3,(H,22,23)(H2,16,24,25);5,7H,1-4H2,(H2,6,8,9);5H,1-4,6H2;4,6-7H,1-3H2,(H2,5,8,9);1H3,(H,3,4);1,3H2;(H4,1,2,3,4);1H/t13-,15-,18+,19+;11-,12+,14-,17+,18+;7-,8+,9-,11+,12+;;;4-;;;;/m000..0..../s1
• InChIKey: IBMWQLHNCVRPNS-NHRCIBHQSA-N
• XLogP: -3.67
• TPSA: 843.91 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 34
• Rotatable Bonds: 26
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2208.27
LogP ≤ 5	-3.67
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetic acid;cyclopentanamine;(4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;iodomethylphosphane;molecular hydrogen;(4-nitrobenzoyl) (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;(4-nitrobenzoyl) (4S,5R,6R)-4-methyl-7-oxo-6-propan-2-yl-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;sulfamide;(sulfamoylamino)cyclopentane;(3S)-3-(sulfamoylamino)pyrrolidine?

The IUPAC name of acetic acid;cyclopentanamine;(4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;iodomethylphosphane;molecular hydrogen;(4-nitrobenzoyl) (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;(4-nitrobenzoyl) (4S,5R,6R)-4-methyl-7-oxo-6-propan-2-yl-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;sulfamide;(sulfamoylamino)cyclopentane;(3S)-3-(sulfamoylamino)pyrrolidine (CID 159874199) is acetic acid;cyclopentanamine;(4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;iodomethylphosphane;molecular hydrogen;(4-nitrobenzoyl) (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;(4-nitrobenzoyl) (4S,5R,6R)-4-methyl-7-oxo-6-propan-2-yl-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;sulfamide;(sulfamoylamino)cyclopentane;(3S)-3-(sulfamoylamino)pyrrolidine.

What is the SMILES notation for acetic acid;cyclopentanamine;(4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;iodomethylphosphane;molecular hydrogen;(4-nitrobenzoyl) (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;(4-nitrobenzoyl) (4S,5R,6R)-4-methyl-7-oxo-6-propan-2-yl-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;sulfamide;(sulfamoylamino)cyclopentane;(3S)-3-(sulfamoylamino)pyrrolidine?

The canonical SMILES for acetic acid;cyclopentanamine;(4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;iodomethylphosphane;molecular hydrogen;(4-nitrobenzoyl) (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;(4-nitrobenzoyl) (4S,5R,6R)-4-methyl-7-oxo-6-propan-2-yl-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;sulfamide;(sulfamoylamino)cyclopentane;(3S)-3-(sulfamoylamino)pyrrolidine is CC(=O)O.CC(C)[C@H]1C(=O)N2C(C(=O)OC(=O)c3ccc([N+](=O)[O-])cc3)=C(CN3CC[C@H](NS(N)(=O)=O)C3)[C@H](C)[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CN3CC[C@H](NS(N)(=O)=O)C3)[C@H](C)[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OC(=O)c3ccc([N+](=O)[O-])cc3)=C(CN3CC[C@H](NS(N)(=O)=O)C3)[C@H](C)[C@H]12.NC1CCCC1.NS(=O)(=O)NC1CCCC1.NS(=O)(=O)N[C@H]1CCNC1.NS(N)(=O)=O.PCI.[H][H].

What is the InChIKey of acetic acid;cyclopentanamine;(4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;iodomethylphosphane;molecular hydrogen;(4-nitrobenzoyl) (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;(4-nitrobenzoyl) (4S,5R,6R)-4-methyl-7-oxo-6-propan-2-yl-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;sulfamide;(sulfamoylamino)cyclopentane;(3S)-3-(sulfamoylamino)pyrrolidine?

The InChIKey is IBMWQLHNCVRPNS-NHRCIBHQSA-N. The full InChI is InChI=1S/C23H29N5O8S.C22H27N5O9S.C15H24N4O6S.C5H12N2O2S.C5H11N.C4H11N3O2S.C2H4O2.CH4IP.H4N2O2S.H2/c1-12(2)18-19-13(3)17(11-26-9-8-15(10-26)25-37(24,34)35)20(27(19)21(18)29)23(31)36-22(30)14-4-6-16(7-5-14)28(32)33;1-11-16(10-25-8-7-14(9-25)24-37(23,34)35)19(26-18(11)17(12(2)28)20(26)29)22(31)36-21(30)13-3-5-15(6-4-13)27(32)33;1-7-10(6-18-4-3-9(5-18)17-26(16,24)25)13(15(22)23)19-12(7)11(8(2)20)14(19)21;6-10(8,9)7-5-3-1-2-4-5;6-5-3-1-2-4-5;5-10(8,9)7-4-1-2-6-3-4;1-2(3)4;2-1-3;1-5(2,3)4;/h4-7,12-13,15,18-19,25H,8-11H2,1-3H3,(H2,24,34,35);3-6,11-12,14,17-18,24,28H,7-10H2,1-2H3,(H2,23,34,35);7-9,11-12,17,20H,3-6H2,1-2H3,(H,22,23)(H2,16,24,25);5,7H,1-4H2,(H2,6,8,9);5H,1-4,6H2;4,6-7H,1-3H2,(H2,5,8,9);1H3,(H,3,4);1,3H2;(H4,1,2,3,4);1H/t13-,15-,18+,19+;11-,12+,14-,17+,18+;7-,8+,9-,11+,12+;;;4-;;;;/m000..0..../s1.

What are the key properties of acetic acid;cyclopentanamine;(4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;iodomethylphosphane;molecular hydrogen;(4-nitrobenzoyl) (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;(4-nitrobenzoyl) (4S,5R,6R)-4-methyl-7-oxo-6-propan-2-yl-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;sulfamide;(sulfamoylamino)cyclopentane;(3S)-3-(sulfamoylamino)pyrrolidine?

acetic acid;cyclopentanamine;(4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;iodomethylphosphane;molecular hydrogen;(4-nitrobenzoyl) (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;(4-nitrobenzoyl) (4S,5R,6R)-4-methyl-7-oxo-6-propan-2-yl-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;sulfamide;(sulfamoylamino)cyclopentane;(3S)-3-(sulfamoylamino)pyrrolidine has a molecular weight of 2208.27 g/mol, XLogP of -3.67, 26 rotatable bonds, 18 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;cyclopentanamine;(4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;iodomethylphosphane;molecular hydrogen;(4-nitrobenzoyl) (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;(4-nitrobenzoyl) (4S,5R,6R)-4-methyl-7-oxo-6-propan-2-yl-3-[[(3S)-3-(sulfamoylamino)pyrrolidin-1-yl]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;sulfamide;(sulfamoylamino)cyclopentane;(3S)-3-(sulfamoylamino)pyrrolidine is sourced from PubChem (CID 159874199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).